7,17-Diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine
PubChem CID: 15286763
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| Compound Synonyms | CHEMBL522984 |
|---|---|
| Topological Polar Surface Area | 53.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H21N3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWSGEWMTRVDJPU-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -1.258 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.372 |
| Compound Name | 7,17-Diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-amine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 243.174 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 243.174 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 243.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7582948 |
| Inchi | InChI=1S/C15H21N3/c16-13-6-3-4-9-17-10-8-12-11-5-1-2-7-14(11)18-15(12)13/h1-2,5,7,13,17-18H,3-4,6,8-10,16H2 |
| Smiles | C1CCNCCC2=C(C(C1)N)NC3=CC=CC=C23 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nitraria Schoberi (Plant) Rel Props:Source_db:cmaup_ingredients